SCHEMBL1895150

SCHEMBL1895150

COc1ccc(C2N(C3C4CC5CC(C4)CC3C5)CC2(C)C)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
PKM P14618 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR2 P34972 1/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
P2RX7 Q99572 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
DRD1 P21728 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1894598 0.79 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1PKMSIGMAR1L3MBTL1
SCHEMBL1899276 0.71 EPHX2 (0.34) SIGMAR1EPHX2
SCHEMBL28829906 0.68 HTR2C (0.40) ALDH1A1SIGMAR1CNR2GAAPOLB
SCHEMBL3149135 0.68 KDM1A (0.38) SMN1; SMN2ALDH1A1PKMSIGMAR1L3MBTL1
SCHEMBL1906430 0.67 SLC6A4 (0.35) TSHRMAPT
SCHEMBL1902602 0.66 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1POLBMAPTHSD11B1
SCHEMBL13651783 0.64 ALDH1A1 (0.39) ALDH1A1SIGMAR1L3MBTL1GAAPOLB
SCHEMBL1894852 0.63 HSD11B1 (0.55) SMN1; SMN2ALDH1A1POLBCHRNA7MAPT
SCHEMBL6872023 0.62 PROKR1 (0.44) GAACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2169585 0.61 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1CNR2MAPTHSD11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322505-A1 1-ADAMANTYLAZETIDIN-2-ONE DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME Kowa Company, Ltd. (JP) 2011-05-18 EP claimed